Table 2.
Refinement statistics.
| Apo-ceQORH | CeQORH-13-KOTE | CeQORH-NADP+-13-KOTE | |
|---|---|---|---|
| Resolution (Å) | 42.26–2.34 (2.42–2.34) | 40.21–2.78 (2.81–2.78) | 49.58–2.81 (2.84–2.81) |
| Rcryst (σF = 0) (%) | 18.14 (22.19) | 20.03 (32.28) | 18.82 (32.46) |
| Rfree (σF = 0) (%) | 25.05 (32.92) | 25.75 (36.90) | 22.47 (38.87) |
| Number of atoms | 5,275 | 28,354 | 19,576 |
| Water molecules | 387 | 0 | 0 |
| B average (Å2) | 25.64 | 45.46 | 72.36 |
| Rmsd bonds (Å) | 0.011 | 0.011 | 0.008 |
| Rmsd angle (°) | 1.350 | 1.286 | 1.214 |
| Ramachandran favored (%) | 98.04 | 97.02 | 97.80 |
| Ramachandran outliers (%) | 1.06 | 1.05 | 0.42 |
Values indicated in parentheses correspond to the statistics in the highest resolution shell.
Rcryst = Σ||Fobs|-|Fcalc||/Σ|Fobs|. Rfree (Brünger, 1992) is the same as Rcryst but calculated for 5% data omitted from the refinement.